Geometry & MOs

Info

ID:	369701
PubChem CID:	127335054
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	4.32
IP(EA), eV:	-9.49(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1C2CCC1CC(C2)O)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations